SCHEMBL2654005

SCHEMBL2654005

CC(=O)c1cccc(-c2cc(C(F)(F)F)cc3ncn(-c4ccccc4)c23)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 6/20 0.50
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
MET P08581 3/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAP4K4 O95819 1/20 0.40
CSNK1G2 P78368 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
MAP4K5 Q9Y4K4 1/20 0.40
AURKA O14965 1/20 0.39
KDR P35968 1/20 0.39
AURKB Q96GD4 1/20 0.39
PLK1 P53350 1/20 0.39
SYK P43405 1/20 0.38
MAOB P27338 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2653352 0.87 NPC1 (0.53) NPC1RAB9AAURKAKDRAURKB
SCHEMBL2653906 0.84 MET (0.48) FGFR1METNPC1RAB9A
SCHEMBL2655569 0.84 MET (0.39) FGFR1METNPC1RAB9AAURKA
SCHEMBL2654916 0.83 GABRA1 (0.49) FGFR1METNPC1RAB9AAURKA
SCHEMBL2653980 0.81 FGFR1 (0.45) FGFR1METNPC1RAB9AMAP4K4
SCHEMBL2655538 0.81 MEN1 (0.46) FGFR1METNPC1RAB9AKDR
SCHEMBL2654891 0.81 PTPN5 (0.41) FGFR1AKR1C3AKR1C2METPLK1
SCHEMBL2656388 0.81 FGFR1 (0.40) FGFR1METNPC1RAB9A
SCHEMBL2653865 0.81 FGFR1 (0.41) FGFR1METNPC1RAB9AAURKA
SCHEMBL2655415 0.81 MET (0.45) FGFR1METPLK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700638-B2 1,5,7-trisubstituted benzimidazole derivatives and their use for modulating the GABAA receptor complex N. V. ORGANON (NL) 2010-04-20 US claimed
JP-2007509108-A 2007-04-12 JP claimed
US-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex N.V. ORGANON (NL) 2007-01-25 US claimed
EP-1678144-A1 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-a RECEPTOR COMPLEX Akzo Nobel N.V. (NL) 2006-07-12 EP claimed
WO-2005040131-A1 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX AKZO NOBEL N.V. (NL) 2005-05-06 WO claimed
US-7700638-B2 1,5,7-trisubstituted benzimidazole derivatives and their use for modulating the GABAA receptor complex N. V. ORGANON (NL) 2010-04-20 US disclosed
US-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex N.V. ORGANON (NL) 2007-01-25 US disclosed
EP-1678144-A1 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-a RECEPTOR COMPLEX Akzo Nobel N.V. (NL) 2006-07-12 EP disclosed
WO-2005040131-A1 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX AKZO NOBEL N.V. (NL) 2005-05-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex GABRB1, GABRA5, GABRB2 FGFR1 2259/4885AKR1C3 823/4885AKR1C2 813/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.